2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol

C11H18N2O — CID 129296490

IUPAC2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol
SMILESCC(C)C1CCc2cn(C)nc2C1O
InChIInChI=1S/C11H18N2O/c1-7(2)9-5-4-8-6-13(3)12-10(8)11(9)14/h6-7,9,11,14H,4-5H2,1-3H3
InChIKeyCDUPNTHLOXTUIR-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.67
Rot. Bonds1

About 2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol

2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol (PubChem CID 129296490) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol
PubChem CID129296490
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol
SMILESCC(C)C1CCc2cn(C)nc2C1O
InChIInChI=1S/C11H18N2O/c1-7(2)9-5-4-8-6-13(3)12-10(8)11(9)14/h6-7,9,11,14H,4-5H2,1-3H3
InChIKeyCDUPNTHLOXTUIR-UHFFFAOYSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol?
The IUPAC name of 2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol (CID 129296490) is 2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol.
What is the SMILES notation for 2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol?
The canonical SMILES for 2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol is CC(C)C1CCc2cn(C)nc2C1O.
What is the InChIKey of 2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol?
The InChIKey is CDUPNTHLOXTUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)9-5-4-8-6-13(3)12-10(8)11(9)14/h6-7,9,11,14H,4-5H2,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol?
2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol has a molecular weight of 194.28 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-4,5,6,7-tetrahydroindazol-7-ol is sourced from PubChem (CID 129296490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).